Geometry & MOs

Info

ID:	382260
PubChem CID:	134973312
Reduced:	NSO2F3H14C21 (1)
Stoich.:	ABC2D3E14F21 (1)
Weight, g/mol:	313.123342
ΔH_f, kcal/mol:	-129.04
Dipole, Da:	3.95
IP(EA), eV:	-8.96(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-amino-5-chlorophenyl)-4,4-dimethyl-1-phenylpent-1-en-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C(\C(=O)C2=CC=CS2)/C(=O)C(F)(F)F)/C3=CC=CC=C3N

DOS

IR

Vibrations